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3W3

3W3
Name:	4-(allyloxy)benzenesulfonamide
Formula:	C9 H11 N O3 S
SMILES:	O=S(=O)(N)c1ccc(OCC=C)cc1
InChi:	InChI=1S/C9H11NO3S/c1-2-7-13-8-3-5-9(6-4-8)14(10,11)12/h2-6H,1,7H2,(H2,10,11,12)
Synonyms:	4-(prop-2-en-1-yloxy)benzenesulfonamide
Definition date:	2014-11-24
Last modified:	2021-03-01
Release date:	2015-04-22
Identifier:	4-(prop-2-en-1-yloxy)benzenesulfonamide

I84

I84
Name:	[2,6-DIMETHYL-4-(2-O-TOLYL-ACETYLAMINO)-BENZENESULFONYL]-GLYCINE
Formula:	C19 H22 N2 O5 S
SMILES:	O=C(Nc1cc(c(c(c1)C)S(=O)(=O)NCC(=O)O)C)Cc2ccccc2C
InChi:	InChI=1S/C19H22N2O5S/c1-12-6-4-5-7-15(12)10-17(22)21-16-8-13(2)19(14(3)9-16)27(25,26)20-11-18(23)24/h4-9,20H,10-11H2,1-3H3,(H,21,22)(H,23,24)
Synonyms:	INHIBITOR IDD 384
Definition date:	2000-03-21
Last modified:	2021-03-01
Identifier:	N-[(2,6-dimethyl-4-{[(2-methylphenyl)acetyl]amino}phenyl)sulfonyl]glycine

IGN

IGN
Name:	{[(1R)-2-((2S)-2-{[(3-{[AMINO(IMINO)METHYL]AMINO}PROPYL)AMINO]CARBONYL}PIPERIDINYL)-1-(CYCLOHEXYLMETHYL)-2-OXOETHYL]AMINO}ACETIC ACID
Formula:	C21 H38 N6 O4
SMILES:	O=C(N1C(C(=O)NCCCNC(=[N@H])N)CCCC1)C(NCC(=O)O)CC2CCCCC2
InChi:	InChI=1S/C21H38N6O4/c22-21(23)25-11-6-10-24-19(30)17-9-4-5-12-27(17)20(31)16(26-14-18(28)29)13-15-7-2-1-3-8-15/h15-17,26H,1-14H2,(H,24,30)(H,28,29)(H4,22,23,25)/t16-,17+/m1/s1
Synonyms:	INOGATRAN (ASTRA-ZENECA)
Definition date:	2001-10-23
Last modified:	2021-03-01
Identifier:	N-[(1R)-2-{(2S)-2-[(3-carbamimidamidopropyl)carbamoyl]piperidin-1-yl}-1-(cyclohexylmethyl)-2-oxoethyl]glycine

16R

16R
Name:	(methylsulfanyl)benzene
Formula:	C7 H8 S
SMILES:	CSc1ccccc1
InChi:	InChI=1S/C7H8S/c1-8-7-5-3-2-4-6-7/h2-6H,1H3
Synonyms:	methyl phenyl sulfide
Definition date:	2012-10-22
Last modified:	2021-03-01
Release date:	2013-10-30
Identifier:	(methylsulfanyl)benzene

MIU

MIU
Name:	N-{(1S)-1-{[4-(3-AMINOPROPYL)PIPERAZIN-1-YL]CARBONYL}-4-[(DIAMINOMETHYLENE)AMINO]BUTYL}-3-(TRIFLUOROMETHYL)BENZENESULFONAMIDE
Formula:	C20 H32 F3 N7 O3 S
SMILES:	FC(F)(F)c1cc(ccc1)S(=O)(=O)NC(C(=O)N2CCN(CCCN)CC2)CCC/N=C(N)N
InChi:	InChI=1S/C20H32F3N7O3S/c21-20(22,23)15-4-1-5-16(14-15)34(32,33)28-17(6-2-8-27-19(25)26)18(31)30-12-10-29(11-13-30)9-3-7-24/h1,4-5,14,17,28H,2-3,6-13,24H2,(H4,25,26,27)/t17-/m0/s1
Synonyms:	L-ARGININE TEMPLATE INHIBITOR CS107
Definition date:	2004-09-02
Last modified:	2021-03-01
Identifier:	N-{(2S)-1-[4-(3-aminopropyl)piperazin-1-yl]-5-[(diaminomethylidene)amino]-1-oxopentan-2-yl}-3-(trifluoromethyl)benzenesulfonamide

MML

MML
Name:	1-methyl-4-(1-methylethyl)benzene
Formula:	C10 H14
SMILES:	c1cc(ccc1C(C)C)C
InChi:	InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3
Synonyms:	p-cymene
Definition date:	2010-05-06
Last modified:	2021-03-01
Identifier:	1-methyl-4-(propan-2-yl)benzene

F18

F18
Name:	4-[(E)-(3,5-DIAMINO-1H-PYRAZOL-4-YL)DIAZENYL]PHENOL
Formula:	C9 H10 N6 O
SMILES:	N(=Nc1c(nnc1N)N)c2ccc(O)cc2
InChi:	InChI=1S/C9H10N6O/c10-8-7(9(11)15-14-8)13-12-5-1-3-6(16)4-2-5/h1-4,16H,(H5,10,11,14,15)/b13-12-
Synonyms:	CAN508
Definition date:	2006-05-02
Last modified:	2021-03-01
Identifier:	4-[(Z)-(3,5-diamino-1H-pyrazol-4-yl)diazenyl]phenol

F5R

F5R
Name:	4-bromanylbenzenecarboximidamide
Formula:	C7 H7 Br N2
SMILES:	NC(=N)c1ccc(Br)cc1
InChi:	InChI=1S/C7H7BrN2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H3,9,10)
Synonyms:	4-Bromobenzamidine
Definition date:	2020-04-01
Last modified:	2021-03-01
Release date:	2020-08-26
Identifier:	4-bromanylbenzenecarboximidamide

F77

F77
Name:	3-ETHYL-6-{[(4-FLUOROPHENYL)SULFONYL]AMINO}-2-METHYLBENZOIC ACID
Formula:	C16 H16 F N O4 S
SMILES:	O=S(=O)(Nc1ccc(c(c1C(=O)O)C)CC)c2ccc(F)cc2
InChi:	InChI=1S/C16H16FNO4S/c1-3-11-4-9-14(15(10(11)2)16(19)20)18-23(21,22)13-7-5-12(17)6-8-13/h4-9,18H,3H2,1-2H3,(H,19,20)
Synonyms:	3-ETHYL-6-(4-FLUORO-BENZENESULFONYLAMINO)-2-METHYL-BENZOIC ACID
Definition date:	2007-02-06
Last modified:	2021-03-01
Identifier:	3-ethyl-6-{[(4-fluorophenyl)sulfonyl]amino}-2-methylbenzoic acid

GY7

GY7
Name:	2-[(2S)-1-(2,6-difluorobenzene-1-carbonyl)pyrrolidin-2-yl]-5-hydroxy-6-oxo-N-(2-phenylethyl)-1,6-dihydropyrimidine-4-carboxamide
Formula:	C24 H22 F2 N4 O4
SMILES:	c4(F)c(C(N3CCCC3C1=NC(=C(O)C(N1)=O)C(=O)NCCc2ccccc2)=O)c(ccc4)F
InChi:	InChI=1S/C24H22F2N4O4/c25-15-8-4-9-16(26)18(15)24(34)30-13-5-10-17(30)21-28-19(20(31)23(33)29-21)22(32)27-12-11-14-6-2-1-3-7-14/h1-4,6-9,17,31H,5,10-13H2,(H,27,32)(H,28,29,33)/t17-/m0/s1
Synonyms:	SRI-29731
Definition date:	2017-07-11
Last modified:	2021-03-01
Release date:	2017-12-27
Identifier:	2-[(2S)-1-(2,6-difluorobenzene-1-carbonyl)pyrrolidin-2-yl]-5-hydroxy-6-oxo-N-(2-phenylethyl)-1,6-dihydropyrimidine-4-carboxamide

5P2

5P2
Name:	3-cyano-4-[2-[2-(1-ethylazetidin-3-yl)pyrazol-3-yl]-4-(trifluoromethyl)phenoxy]-~{N}-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
Formula:	C24 H20 F3 N7 O3 S2
SMILES:	CCN1CC(C1)n2nccc2c3cc(ccc3Oc4ccc(cc4C#N)[S](=O)(=O)Nc5sncn5)C(F)(F)F
InChi:	InChI=1S/C24H20F3N7O3S2/c1-2-33-12-17(13-33)34-20(7-8-30-34)19-10-16(24(25,26)27)3-5-22(19)37-21-6-4-18(9-15(21)11-28)39(35,36)32-23-29-14-31-38-23/h3-10,14,17H,2,12-13H2,1H3,(H,29,31,32)
Synonyms:	GX-936
Definition date:	2015-11-03
Last modified:	2021-03-01
Release date:	2015-12-23
Identifier:	3-cyano-4-[2-[2-(1-ethylazetidin-3-yl)pyrazol-3-yl]-4-(trifluoromethyl)phenoxy]-~{N}-(1,2,4-thiadiazol-5-yl)benzenesulfonamide

HS3

HS3
Name:	(2R)-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]-N-oxo-propanamide
Formula:	C10 H12 N2 O6 S
SMILES:	O=NC(=O)C(NS(=O)(=O)c1ccc(OC)cc1)CO
InChi:	InChI=1S/C10H12N2O6S/c1-18-7-2-4-8(5-3-7)19(16,17)12-9(6-13)10(14)11-15/h2-5,9,12-13H,6H2,1H3/t9-/m1/s1
Synonyms:	(R)-N-(3-hydroxy-1-nitroso-1-oxopropan-2-yl)-4-methoxybenzenesulfonamide
Definition date:	2008-11-04
Last modified:	2021-03-01
Identifier:	N~2~-[(4-methoxyphenyl)sulfonyl]-N-oxo-D-serinamide

HS5

HS5
Name:	2-[(4-fluorophenyl)sulfonyl-(2-hydroxyethyl)amino]-N-oxo-ethanamide
Formula:	C10 H11 F N2 O5 S
SMILES:	O=S(=O)(c1ccc(F)cc1)N(CC(=O)N=O)CCO
InChi:	InChI=1S/C10H11FN2O5S/c11-8-1-3-9(4-2-8)19(17,18)13(5-6-14)7-10(15)12-16/h1-4,14H,5-7H2
Synonyms:	4-fluoro-N-(2-hydroxyethyl)-N-(2-nitroso-2-oxoethyl)benzenesulfonamide
Definition date:	2008-11-04
Last modified:	2021-03-01
Identifier:	N~2~-[(4-fluorophenyl)sulfonyl]-N~2~-(2-hydroxyethyl)-N-oxoglycinamide

EKZ

EKZ
Name:	4-tert-butylbenzene-1,2-diol
Formula:	C10 H14 O2
SMILES:	Oc1ccc(cc1O)C(C)(C)C
InChi:	InChI=1S/C10H14O2/c1-10(2,3)7-4-5-8(11)9(12)6-7/h4-6,11-12H,1-3H3
Synonyms:	4-tert-Butylcatechol (CAS 98-29-3)
Definition date:	2013-05-21
Last modified:	2021-03-01
Release date:	2014-04-23
Identifier:	4-tert-butylbenzene-1,2-diol

655

655
Name:	2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-6-(CYCLOPENTYLOXY)BENZENOLATE
Formula:	C19 H20 N4 O2
SMILES:	[O-]c4c(OC1CCCC1)cccc4c3nc2cc(ccc2n3)C(=[NH2+])N
InChi:	InChI=1S/C19H20N4O2/c20-18(21)11-8-9-14-15(10-11)23-19(22-14)13-6-3-7-16(17(13)24)25-12-4-1-2-5-12/h3,6-10,12,24H,1-2,4-5H2,(H3,20,21)(H,22,23)
Synonyms:	CRA_10655
Definition date:	2003-03-14
Last modified:	2021-03-01
Identifier:	2-{5-[amino(iminio)methyl]-1H-benzimidazol-2-yl}-6-(cyclopentyloxy)phenolate

656

656
Name:	2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-6-ISOBUTOXYBENZENOLATE
Formula:	C18 H20 N4 O2
SMILES:	[O-]c3c(OCC(C)C)cccc3c2nc1cc(ccc1n2)C(=[NH2+])N
InChi:	InChI=1S/C18H20N4O2/c1-10(2)9-24-15-5-3-4-12(16(15)23)18-21-13-7-6-11(17(19)20)8-14(13)22-18/h3-8,10,23H,9H2,1-2H3,(H3,19,20)(H,21,22)
Synonyms:	CRA_10656
Definition date:	2003-03-14
Last modified:	2021-03-01
Identifier:	2-{5-[amino(iminio)methyl]-1H-benzimidazol-2-yl}-6-(2-methylpropoxy)phenolate

M29

M29
Name:	ETHYL 3-[4-(AMINOSULFONYL)PHENYL]PROPANOATE
Formula:	C11 H15 N O4 S
SMILES:	O=S(=O)(c1ccc(cc1)CCC(=O)OCC)N
InChi:	InChI=1S/C11H15NO4S/c1-2-16-11(13)8-5-9-3-6-10(7-4-9)17(12,14)15/h3-4,6-7H,2,5,8H2,1H3,(H2,12,14,15)
Synonyms:	4-PROPYL BENZENESULFONAMIDE ETHYL ESTER
Definition date:	2006-10-30
Last modified:	2021-03-01
Identifier:	ethyl 3-(4-sulfamoylphenyl)propanoate

DOL

DOL
Name:	5-(2-DIETHYLAMINO-ETHANESULFONYL)-21-HYDROXY-10-ISOPROPYL-11,19-DIMETHYL-9,26-DIOXA-3,15,28-TRIAZA-TRICYCLO[23.2.1.00,255]OCTACOSA-1(27),12,17,19,25(28)-PENTAENE-2,8,14,23-TETRAONE
Formula:	C34 H50 N4 O9 S
SMILES:	O=S(=O)(CCN(CC)CC)C3CCN2C(=O)c1nc(oc1)CC(=O)CC(O)C=C(C=CCNC(=O)C=CC(C)C(OC(=O)C23)C(C)C)C
InChi:	InChI=1S/C34H50N4O9S/c1-7-37(8-2)16-17-48(44,45)28-13-15-38-31(28)34(43)47-32(22(3)4)24(6)11-12-29(41)35-14-9-10-23(5)18-25(39)19-26(40)20-30-36-27(21-46-30)33(38)42/h9-12,18,21-22,24-25,28,31-32,39H,7-8,13-17,19-20H2,1-6H3,(H,35,41)/b10-9+,12-11+,23-18+/t24-,25-,28-,31-,32-/m1/s1
Synonyms:	DALFOPRISTIN
Definition date:	2002-09-26
Last modified:	2021-03-01
Identifier:	(3R,4R,5E,10E,12E,14S,26R,26aS)-26-{[2-(diethylamino)ethyl]sulfonyl}-14-hydroxy-4,12-dimethyl-3-(1-methylethyl)-8,9,14,15,24,25,26,26a-octahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosine-1,7,16,22(4H,17H)-tetrone

6VP

6VP
Name:	5-nitro-2-oxidanyl-benzenecarbonitrile
Formula:	C7 H4 N2 O3
SMILES:	Oc1ccc(cc1C#N)[N+]([O-])=O
InChi:	InChI=1S/C7H4N2O3/c8-4-5-3-6(9(11)12)1-2-7(5)10/h1-3,10H
Synonyms:	2-hydroxy-5-nitrobenzonitrile
Definition date:	2016-07-05
Last modified:	2021-03-01
Release date:	2016-09-07
Identifier:	5-nitro-2-oxidanyl-benzenecarbonitrile

MWB

MWB
Name:	N1-(4,5-dihydro-1H-imidazol-2-yl)-N4-(4-((4,5-dihydro-1H-imidazol-2-yl)amino)phenyl)benzene-1,4-diamine
Formula:	C18 H21 N7
SMILES:	N4=C(Nc3ccc(Nc2ccc(NC1=NCCN1)cc2)cc3)NCC4
InChi:	InChI=1S/C18H21N7/c1-5-15(24-17-19-9-10-20-17)6-2-13(1)23-14-3-7-16(8-4-14)25-18-21-11-12-22-18/h1-8,23H,9-12H2,(H2,19,20,24)(H2,21,22,25)
Synonyms:	CD27
Definition date:	2014-02-04
Last modified:	2021-03-01
Release date:	2014-06-11
Identifier:	N-(4,5-dihydro-1H-imidazol-2-yl)-N'-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]benzene-1,4-diamine

3FA

3FA
Name:	3-FLUOROBENZENE-1,2-DIOL
Formula:	C6 H5 F O2
SMILES:	Fc1cccc(O)c1O
InChi:	InChI=1S/C6H5FO2/c7-4-2-1-3-5(8)6(4)9/h1-3,8-9H
Synonyms:	3-FLUOROCATECHOL
Definition date:	2005-09-06
Last modified:	2021-03-01
Identifier:	3-fluorobenzene-1,2-diol

3JN

3JN
Name:	3-[(1E)-3-carboxyprop-1-en-1-yl]benzene-1,2-dicarboxylic acid
Formula:	C12 H10 O6
SMILES:	O=C(O)C/C=C/c1cccc(C(=O)O)c1C(=O)O
InChi:	InChI=1S/C12H10O6/c13-9(14)6-2-4-7-3-1-5-8(11(15)16)10(7)12(17)18/h1-5H,6H2,(H,13,14)(H,15,16)(H,17,18)/b4-2+
Synonyms:	3-carboxy-propenyl-phthalic acid
Definition date:	2014-08-27
Last modified:	2021-03-01
Release date:	2014-12-10
Identifier:	3-[(1E)-3-carboxyprop-1-en-1-yl]benzene-1,2-dicarboxylic acid

NSL

NSL
Name:	4-Hydroxyazobenzene
Formula:	C12 H10 N2 O
SMILES:	c1ccc(cc1)N=Nc2ccc(O)cc2
InChi:	InChI=1S/C12H10N2O/c15-12-8-6-11(7-9-12)14-13-10-4-2-1-3-5-10/h1-9,15H/b14-13+
Synonyms:	4-[(E)-phenyldiazenyl]phenol
Definition date:	2019-04-15
Last modified:	2021-03-01
Release date:	2019-07-24
Identifier:	4-[(E)-phenyldiazenyl]phenol

OBP

OBP
Name:	2'-HYDROXY-1,1'-BIPHENYL-2-SULFINIC ACID
Formula:	C12 H10 O3 S
SMILES:	O=S(O)c2c(c1ccccc1O)cccc2
InChi:	InChI=1S/C12H10O3S/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)16(14)15/h1-8,13H,(H,14,15)
Synonyms:	2'-HYDROXYBIPHENYL-2-SULFINIC ACID
Definition date:	2004-10-15
Last modified:	2021-03-01
Identifier:	2'-hydroxybiphenyl-2-sulfinic acid

785

785
Name:	2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-4-(TRIFLUOROMETHOXY)BENZENOLATE
Formula:	C15 H11 F3 N4 O2
SMILES:	FC(F)(F)Oc3cc(c2nc1cc(ccc1n2)C(=[NH2+])N)c([O-])cc3
InChi:	InChI=1S/C15H11F3N4O2/c16-15(17,18)24-8-2-4-12(23)9(6-8)14-21-10-3-1-7(13(19)20)5-11(10)22-14/h1-6,23H,(H3,19,20)(H,21,22)
Synonyms:	CRA_9785
Definition date:	2003-03-14
Last modified:	2021-03-01
Identifier:	2-{5-[amino(iminio)methyl]-1H-benzimidazol-2-yl}-4-(trifluoromethoxy)phenolate

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